- InChI
- InChI=1S/C10H9NO3/c1-2-13-10(12)14-9-5-3-8(7-11)4-6-9/h3-6H,2H2,1H3
- InChI Key
- QBQRNAOYCNQVFL-UHFFFAOYSA-N
- Formula
- C10H9NO3
- SMILES
- CCOC(=O)Oc1ccc(C#N)cc1
- Molecular Weight1
- 191.18
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -69.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -236.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.84 | kJ/mol | Joback Calculated Property |
| log10WS | -2.62 | Crippen Calculated Property | |
| logPoct/wat | 2.094 | Crippen Calculated Property | |
| McVol | 142.690 | ml/mol | McGowan Calculated Property |
| Pc | 2896.73 | kPa | Joback Calculated Property |
| Inp | 1541.00 | NIST | |
| Tboil | 660.65 | K | Joback Calculated Property |
| Tc | 886.10 | K | Joback Calculated Property |
| Tfus | 400.78 | K | Joback Calculated Property |
| Vc | 0.555 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [345.59; 399.02] | J/mol×K | [660.65; 886.10] | 
|
| Cp,gas | 345.59 | J/mol×K | 660.65 | Joback Calculated Property |
| Cp,gas | 356.26 | J/mol×K | 698.22 | Joback Calculated Property |
| Cp,gas | 366.23 | J/mol×K | 735.80 | Joback Calculated Property |
| Cp,gas | 375.50 | J/mol×K | 773.37 | Joback Calculated Property |
| Cp,gas | 384.06 | J/mol×K | 810.95 | Joback Calculated Property |
| Cp,gas | 391.90 | J/mol×K | 848.52 | Joback Calculated Property |
| Cp,gas | 399.02 | J/mol×K | 886.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, ethyl 4-cyanophenyl ester.
Sources
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